4-[(2-methoxyphenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(2-methoxyphenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(2-methoxyphenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(2-methoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(2-methoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[methyl(o-anisyl)amino]-3-nitro-benzonitrile Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OC)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1OC)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3/c1-18(11-13-5-3-4-6-16(13)22-2)14-8-7-12(10-17)9-15(14)19(20)21/h3-9H,11H2,1-2H3